Geometry & MOs

Info

ID:	42973
PubChem CID:	10317465
Reduced:	NSO4C20H27 (1)
Stoich.:	ABC4D20E27 (1)
Weight, g/mol:	377.256609
ΔH_f, kcal/mol:	-175.76
Dipole, Da:	4.61
IP(EA), eV:	-9.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(oxan-2-yloxy)-3-(3-pyridin-3-ylpropyl)heptanoate

Drug info:

PubChemData

Smile

C1C(N(C(=O)S1)CCCCCCC(=O)O)/C=C/C(CC2=CC=CC=C2)O

DOS

IR

Vibrations